[3-(1-aminoethyl)piperidin-1-yl]-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-yl]methanone;dihydrochloride

C22H31Cl2N3O2 — CID 119594137

About [3-(1-aminoethyl)piperidin-1-yl]-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-yl]methanone;dihydrochloride

[3-(1-aminoethyl)piperidin-1-yl]-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-yl]methanone;dihydrochloride (PubChem CID 119594137) has the molecular formula C22H31Cl2N3O2 and a molecular weight of 440.42 g/mol. Its IUPAC name is [3-(1-aminoethyl)piperidin-1-yl]-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-yl]methanone;dihydrochloride.

Molecular Properties

• Compound Name: [3-(1-aminoethyl)piperidin-1-yl]-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-yl]methanone;dihydrochloride
• PubChem CID: 119594137
• Molecular Formula: C22H31Cl2N3O2
• Molecular Weight: 440.42 g/mol
• Exact Mass: 439.18
• IUPAC Name: [3-(1-aminoethyl)piperidin-1-yl]-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-yl]methanone;dihydrochloride
• SMILES: CC(N)C1CCCN(C(=O)c2ccoc2CN2c3ccccc3CC2C)C1.Cl.Cl
• InChI: InChI=1S/C22H29N3O2.2ClH/c1-15-12-17-6-3-4-8-20(17)25(15)14-21-19(9-11-27-21)22(26)24-10-5-7-18(13-24)16(2)23;;/h3-4,6,8-9,11,15-16,18H,5,7,10,12-14,23H2,1-2H3;2*1H
• InChIKey: ZVBSXHXGKKLELZ-UHFFFAOYSA-N
• XLogP: 4.27
• TPSA: 62.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.42
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-yl]methanone;dihydrochloride?

The IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-yl]methanone;dihydrochloride (CID 119594137) is [3-(1-aminoethyl)piperidin-1-yl]-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-yl]methanone;dihydrochloride.

What is the SMILES notation for [3-(1-aminoethyl)piperidin-1-yl]-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-yl]methanone;dihydrochloride?

The canonical SMILES for [3-(1-aminoethyl)piperidin-1-yl]-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-yl]methanone;dihydrochloride is CC(N)C1CCCN(C(=O)c2ccoc2CN2c3ccccc3CC2C)C1.Cl.Cl.

What is the InChIKey of [3-(1-aminoethyl)piperidin-1-yl]-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-yl]methanone;dihydrochloride?

The InChIKey is ZVBSXHXGKKLELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2.2ClH/c1-15-12-17-6-3-4-8-20(17)25(15)14-21-19(9-11-27-21)22(26)24-10-5-7-18(13-24)16(2)23;;/h3-4,6,8-9,11,15-16,18H,5,7,10,12-14,23H2,1-2H3;2*1H.

What are the key properties of [3-(1-aminoethyl)piperidin-1-yl]-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-yl]methanone;dihydrochloride?

[3-(1-aminoethyl)piperidin-1-yl]-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-yl]methanone;dihydrochloride has a molecular weight of 440.42 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(1-aminoethyl)piperidin-1-yl]-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-yl]methanone;dihydrochloride is sourced from PubChem (CID 119594137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).